68516187
  -OEChem-05052400372D

 49 52  0     1  0  0  0  0  0999 V2000
    9.2619   -3.1506    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    3.9174    3.6891    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -3.6506    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.6783   -3.9553    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    3.9639    1.0438    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.6103    0.5057    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    2.8660   -2.1506    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -2.6506    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    5.2619   -3.1506    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9889   -1.3953    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2619   -3.1506    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9674   -1.1891    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7619   -2.2846    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.6318    0.2995    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2746    1.9943    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    6.2781   -0.2386    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7619   -2.2846    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7619   -4.0166    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6067    2.7386    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2531    2.2005    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2619   -3.1506    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.3894   -3.5429    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7880   -4.2332    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4675   -4.6255    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    6.3815   -1.6506    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    6.4519   -4.5536    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    3.2242    2.2507    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3809    1.5938    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    3.5033    4.1506    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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  2 25  1  0  0  0  0
  2 49  1  0  0  0  0
  3  4  1  0  0  0  0
  3  8  1  0  0  0  0
  3 12  1  0  0  0  0
  4 14  2  0  0  0  0
  5 15  2  0  0  0  0
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  6 20  1  0  0  0  0
  6 21  1  0  0  0  0
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  8  9  1  0  0  0  0
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  9 29  1  0  0  0  0
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 19 38  1  0  0  0  0
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 25 44  1  0  0  0  0
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M  END
> <PUBCHEM_COMPOUND_CID>
68516187

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
475

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
6

> <PUBCHEM_CACTVS_HBOND_DONOR>
2

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
5

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADceB7oQAAAAAAAAAAAAAAAAAAAWAAAAA8WIAAAAAAAFgB8AAAHwAYCAAADCjhng4/kJbIEgCiAzRnZACShCkxgqAZ2KA4ZJiKOKLA2dGE5AhomALYyCcQgMAOAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
2-[[4-[2-(4-fluorophenyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-yl]pyrimidin-2-yl]amino]propan-1-ol

> <PUBCHEM_IUPAC_CAS_NAME>
2-[[4-[2-(4-fluorophenyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-yl]-2-pyrimidinyl]amino]-1-propanol

> <PUBCHEM_IUPAC_NAME_MARKUP>
2-[[4-[2-(4-fluorophenyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-yl]pyrimidin-2-yl]amino]propan-1-ol

> <PUBCHEM_IUPAC_NAME>
2-[[4-[2-(4-fluorophenyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-yl]pyrimidin-2-yl]amino]propan-1-ol

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
2-[[4-[2-(4-fluorophenyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-yl]pyrimidin-2-yl]amino]propan-1-ol

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
2-[[4-[2-(4-fluorophenyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-yl]pyrimidin-2-yl]amino]propan-1-ol

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C20H22FN5O/c1-13(12-27)23-20-22-10-9-16(24-20)18-17-4-2-3-11-26(17)25-19(18)14-5-7-15(21)8-6-14/h5-10,13,27H,2-4,11-12H2,1H3,(H,22,23,24)

> <PUBCHEM_IUPAC_INCHIKEY>
NHDDYIOIAJWKNN-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
2.7

> <PUBCHEM_EXACT_MASS>
367.18083850

> <PUBCHEM_MOLECULAR_FORMULA>
C20H22FN5O

> <PUBCHEM_MOLECULAR_WEIGHT>
367.4

> <PUBCHEM_OPENEYE_CAN_SMILES>
CC(CO)NC1=NC=CC(=N1)C2=C3CCCCN3N=C2C4=CC=C(C=C4)F

> <PUBCHEM_OPENEYE_ISO_SMILES>
CC(CO)NC1=NC=CC(=N1)C2=C3CCCCN3N=C2C4=CC=C(C=C4)F

> <PUBCHEM_CACTVS_TPSA>
75.9

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
367.18083850

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
27

> <PUBCHEM_ATOM_DEF_STEREO_COUNT>
0

> <PUBCHEM_ATOM_UDEF_STEREO_COUNT>
1

> <PUBCHEM_BOND_DEF_STEREO_COUNT>
0

> <PUBCHEM_BOND_UDEF_STEREO_COUNT>
0

> <PUBCHEM_ISOTOPIC_ATOM_COUNT>
0

> <PUBCHEM_COMPONENT_COUNT>
1

> <PUBCHEM_CACTVS_TAUTO_COUNT>
-1

> <PUBCHEM_COORDINATE_TYPE>
1
5
255

> <PUBCHEM_BONDANNOTATIONS>
13  14  8
15  17  8
16  18  8
16  19  8
17  22  8
18  23  8
19  24  8
21  26  3
23  27  8
24  27  8
3  4  8
3  8  8
4  14  8
5  15  8
5  20  8
7  20  8
7  22  8
8  13  8

$$$$